SCHEMBL30270207

SCHEMBL30270207

COc1c(C)c(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cn(C)c1=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 20/20 0.68
▸ TLR8 Q9NR97 20/20 0.68
▸ TLR7 Q9NYK1 20/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20704596 1.00 TLR9 (0.68) TLR9TLR8TLR7
SCHEMBL30270175 0.90 TLR9 (0.66) TLR9TLR8TLR7
SCHEMBL20704618 0.90 TLR9 (0.66) TLR9TLR8TLR7
SCHEMBL20704358 0.89 TLR9 (0.62) TLR9TLR8TLR7
SCHEMBL30270171 0.89 TLR9 (0.62) TLR9TLR8TLR7
SCHEMBL20704442 0.87 TLR8 (0.67) TLR9TLR8TLR7
SCHEMBL30270185 0.87 TLR8 (0.67) TLR9TLR8TLR7
SCHEMBL20704554 0.86 TLR9 (0.71) TLR9TLR8TLR7
SCHEMBL20704567 0.85 TLR9 (0.64) TLR9TLR8TLR7
SCHEMBL30270179 0.85 TLR9 (0.64) TLR9TLR8TLR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997656-B Substituted indole compounds useful as TLR7/8/9 inhibitors 百时美施贵宝公司 2023-04-14 — — CN claimed
CN-110997656-B Substituted indole compounds useful as TLR7/8/9 inhibitors 百时美施贵宝公司 2023-04-14 — — CN disclosed
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